RE: [SIESTA-L] Siesta calculation for helical structure

2022-02-11 Por tôpico Fanmiao Kong
Dear Zeila, Thanks for your suggestion. I don’t know if there’s general solution for this question, but for my current case I did make a supercell which contains more than 200 atoms. This seems to be the only solution now. Best, Fanmiao Fanmiao Kong Department of Materials, Trinity College,

RE: [SIESTA-L] Siesta calculation for helical structure

2022-02-11 Por tôpico Fanmiao Kong
Dear Victor, Thanks a lot for your reply! I had a look at these two papers. But I didn't find the version of siesta which can do this kind of calculation. By the way in the paper it is the spin texture that is spiral, which sounds different from the geometric spiral structure to me. I don't

Re: [SIESTA-L] [***RedIris: Posible SPAM***] [***RedIris: Posible SPAM***] Output units in the *.bands file

2022-02-11 Por tôpico Alberto Garcia
Hi, The units are indeed Bohr^-1. But in the .bands file (assuming you are using the 'bandlines' option), what is printed is the cumulative path length in reciprocal space. I hope this helps. Alberto - El 10 de Feb de 2022, a las 04:39, Pasan Henadeera henadeer...@gmail.com escribió: